ethyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-1H-indole-3-carboxylate
ethyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8011-8239 |
| Compound Name: | ethyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-1H-indole-3-carboxylate |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C21 H23 N3 O5 |
| Smiles: | CCOC(c1c2cc(ccc2n(CCCNc2ccc(cc2)[N+]([O-])=O)c1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9517 |
| logD: | 3.95 |
| logSw: | -4.0155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.517 |
| InChI Key: | KGVFKECPKJCCTI-UHFFFAOYSA-N |